2-(2-hydroxyethyl)-N-(5-methylpyrazin-2-yl)-4-(4-methylsulfonylphenoxy)indazole-6-carboxamide

C22H21N5O5S — CID 71450445

IUPAC2-(2-hydroxyethyl)-N-(5-methylpyrazin-2-yl)-4-(4-methylsulfonylphenoxy)indazole-6-carboxamide
SMILESCc1cnc(NC(=O)c2cc(Oc3ccc(S(C)(=O)=O)cc3)c3cn(CCO)nc3c2)cn1
InChIInChI=1S/C22H21N5O5S/c1-14-11-24-21(12-23-14)25-22(29)15-9-19-18(13-27(26-19)7-8-28)20(10-15)32-16-3-5-17(6-4-16)33(2,30)31/h3-6,9-13,28H,7-8H2,1-2H3,(H,24,25,29)
InChIKeyFAIDDEBXNVTRMU-UHFFFAOYSA-N
MW467.51 g/mol
LogP2.58
Rot. Bonds7

About 2-(2-hydroxyethyl)-N-(5-methylpyrazin-2-yl)-4-(4-methylsulfonylphenoxy)indazole-6-carboxamide

2-(2-hydroxyethyl)-N-(5-methylpyrazin-2-yl)-4-(4-methylsulfonylphenoxy)indazole-6-carboxamide (PubChem CID 71450445) has the molecular formula C22H21N5O5S and a molecular weight of 467.51 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-N-(5-methylpyrazin-2-yl)-4-(4-methylsulfonylphenoxy)indazole-6-carboxamide.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-N-(5-methylpyrazin-2-yl)-4-(4-methylsulfonylphenoxy)indazole-6-carboxamide
PubChem CID71450445
Molecular FormulaC22H21N5O5S
Molecular Weight467.51 g/mol
Exact Mass467.13
IUPAC Name2-(2-hydroxyethyl)-N-(5-methylpyrazin-2-yl)-4-(4-methylsulfonylphenoxy)indazole-6-carboxamide
SMILESCc1cnc(NC(=O)c2cc(Oc3ccc(S(C)(=O)=O)cc3)c3cn(CCO)nc3c2)cn1
InChIInChI=1S/C22H21N5O5S/c1-14-11-24-21(12-23-14)25-22(29)15-9-19-18(13-27(26-19)7-8-28)20(10-15)32-16-3-5-17(6-4-16)33(2,30)31/h3-6,9-13,28H,7-8H2,1-2H3,(H,24,25,29)
InChIKeyFAIDDEBXNVTRMU-UHFFFAOYSA-N
XLogP2.58
TPSA136.30 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.51
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)-N-(5-methylpyrazin-2-yl)-4-(4-methylsulfonylphenoxy)indazole-6-carboxamide?
The IUPAC name of 2-(2-hydroxyethyl)-N-(5-methylpyrazin-2-yl)-4-(4-methylsulfonylphenoxy)indazole-6-carboxamide (CID 71450445) is 2-(2-hydroxyethyl)-N-(5-methylpyrazin-2-yl)-4-(4-methylsulfonylphenoxy)indazole-6-carboxamide.
What is the SMILES notation for 2-(2-hydroxyethyl)-N-(5-methylpyrazin-2-yl)-4-(4-methylsulfonylphenoxy)indazole-6-carboxamide?
The canonical SMILES for 2-(2-hydroxyethyl)-N-(5-methylpyrazin-2-yl)-4-(4-methylsulfonylphenoxy)indazole-6-carboxamide is Cc1cnc(NC(=O)c2cc(Oc3ccc(S(C)(=O)=O)cc3)c3cn(CCO)nc3c2)cn1.
What is the InChIKey of 2-(2-hydroxyethyl)-N-(5-methylpyrazin-2-yl)-4-(4-methylsulfonylphenoxy)indazole-6-carboxamide?
The InChIKey is FAIDDEBXNVTRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O5S/c1-14-11-24-21(12-23-14)25-22(29)15-9-19-18(13-27(26-19)7-8-28)20(10-15)32-16-3-5-17(6-4-16)33(2,30)31/h3-6,9-13,28H,7-8H2,1-2H3,(H,24,25,29).
What are the key properties of 2-(2-hydroxyethyl)-N-(5-methylpyrazin-2-yl)-4-(4-methylsulfonylphenoxy)indazole-6-carboxamide?
2-(2-hydroxyethyl)-N-(5-methylpyrazin-2-yl)-4-(4-methylsulfonylphenoxy)indazole-6-carboxamide has a molecular weight of 467.51 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-N-(5-methylpyrazin-2-yl)-4-(4-methylsulfonylphenoxy)indazole-6-carboxamide is sourced from PubChem (CID 71450445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).